![#4;[(2R,3R,4S,5R)-5-(2-AMINO-6-OXO-1,6-DIHYDROPURIN-9-YL)-4-HYDROXY-3-[(2S,4S,5S)-3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDRO-2H-PYRAN-2-YLOXY]-TETRAHYDROFURAN](/api/spectrum/CSiU7oRwdtm/structure.png?h=300&w=458 "#4;[(2R,3R,4S,5R)-5-(2-AMINO-6-OXO-1,6-DIHYDROPURIN-9-YL)-4-HYDROXY-3-[(2S,4S,5S)-3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDRO-2H-PYRAN-2-YLOXY]-TETRAHYDROFURAN")
| SpectraBase Compound ID | ClpsdSbkjIM |
|---|---|
| InChI | InChI=1S/C16H23N5O12S/c1-4-7(22)8(23)9(24)15(31-4)33-11-5(2-30-34(27,28)29)32-14(10(11)25)21-3-18-6-12(21)19-16(17)20-13(6)26/h3-5,7-11,14-15,22-25H,2H2,1H3,(H,27,28,29)(H3,17,19,20,26)/t4-,5+,7+,8+,9-,10+,11+,14+,15-/m1/s1 |
| InChIKey | PXAORDXGDZJIME-BTIZHLFDSA-N |
| Mol Weight | 509.44 g/mol |
| Molecular Formula | C16H23N5O12S |
| Exact Mass | 509.106392 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CSiU7oRwdtm |
|---|---|
| Name | #4;[(2R,3R,4S,5R)-5-(2-AMINO-6-OXO-1,6-DIHYDROPURIN-9-YL)-4-HYDROXY-3-[(2S,4S,5S)-3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDRO-2H-PYRAN-2-YLOXY]-TETRAHYDROFURAN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C16H23N5O12S |
| InChI | InChI=1S/C16H23N5O12S/c1-4-7(22)8(23)9(24)15(31-4)33-11-5(2-30-34(27,28)29)32-14(10(11)25)21-3-18-6-12(21)19-16(17)20-13(6)26/h3-5,7-11,14-15,22-25H,2H2,1H3,(H,27,28,29)(H3,17,19,20,26)/t4-,5+,7+,8+,9-,10+,11+,14+,15-/m1/s1 |
| InChIKey | PXAORDXGDZJIME-BTIZHLFDSA-N |
| Literature Reference Author | A.E.TAGGI,J.MEINWALD,F.C.SCHROEDER |
| Literature Reference Citation | J.AM.CHEM.SOC.,126,10364(2004) |
| Literature Reference DOI | 10.1021/ja047416n |
| Molecular Weight | 509.445 g/mol |
| Sample ID | 36988 |
| Solvent | D2O |